Electron-impact ionization of diatomic molecules using a configuration-average distorted-wave method

M. S. Pindzola, F. Robicheaux, J. Colgan, C. P. Ballance

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Electron-impact ionization cross sections for diatomic molecules are calculated in a configuration-average distorted-wave method. Core bound orbitals for the molecular ion are calculated using a single-configuration self-consistent-field method based on a linear combination of Slater-type orbitals. The core bound orbitals are then transformed onto a two-dimensional (r,θ) numerical lattice from which a Hartree potential with local exchange is constructed. The single-particle Schrödinger equation is then solved for the valence bound orbital and continuum distorted-wave orbitals with S-matrix boundary conditions. Total cross section results for H2 and N2 are compared with those from semiempirical calculations and experimental measurements.
Original languageEnglish
JournalPhysical Review A (Atomic, Molecular, and Optical Physics)
Volume76
Issue number1
DOIs
Publication statusPublished - 2007

Fingerprint Dive into the research topics of 'Electron-impact ionization of diatomic molecules using a configuration-average distorted-wave method'. Together they form a unique fingerprint.

  • Cite this